Sugi Predict

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SCHEMBL28980980

SCHEMBL28980980

C=CC(=O)Nc1ccc(Nc2nc(Nc3ccc(N4CCN(C)CC4)c(F)c3)ncc2Cl)cc1Cl.C=CC(=O)Nc1ccc(Nc2nc(Nc3cccc(S(=O)(=O)N4CCN(C(C)=O)CC4)c3)ncc2Cl)cc1Cl

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 6/20 0.61
▸ EGFR P00533 9/20 0.55
▸ BRD4 O60885 1/20 0.54
▸ MAP3K7 O43318 3/20 0.53
▸ MAPK1 P28482 2/20 0.52
▸ MAP2K1 Q02750 2/20 0.52
▸ FGFR1 P11362 1/20 0.52
▸ SRC P12931 1/20 0.52
▸ BTK Q06187 1/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28980995 0.90 EGFR (0.60) EGFRMAP3K7MAPK1MAP2K1BTK
SCHEMBL31684770 0.90 EGFR (0.60) EGFRMAP3K7MAPK1MAP2K1BTK
SCHEMBL31684746 0.87 JAK3 (0.71) JAK3EGFRBRD4MAP3K7MAPK1
SCHEMBL28980996 0.87 JAK3 (0.71) JAK3EGFRBRD4MAP3K7MAPK1
SCHEMBL28980998 0.79 MAP3K7 (0.73) JAK3EGFRMAP3K7MAPK1MAP2K1
SCHEMBL31684766 0.79 MAP3K7 (0.73) JAK3EGFRMAP3K7MAPK1MAP2K1
SCHEMBL31684776 0.78 MAP3K7 (0.70) JAK3EGFRMAP3K7MAPK1MAP2K1
SCHEMBL28980973 0.78 MAP3K7 (0.70) JAK3EGFRMAP3K7MAPK1MAP2K1
SCHEMBL31684777 0.77 MAP3K7 (0.80) JAK3EGFRBRD4MAP3K7MAPK1
SCHEMBL28980982 0.77 MAP3K7 (0.80) JAK3EGFRBRD4MAP3K7MAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115894381-A 2,4,5-trisubstituted pyrimidine compound and preparation method and application thereof 温州医科大学 2023-04-04 — — CN claimed